(E)-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O4S/c17-12-8-11(20(23)24)9-13(15(12)22)18-16(25)19-14(21)7-6-10-4-2-1-3-5-10/h1-9,22H,(H2,18,19,21,25)/b7-6+